Geometry & MOs

Info

ID:	335857
PubChem CID:	127254719
Reduced:	OF3N7H10C12 (1)
Stoich.:	AB3C7D10E12 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-72.82
Dipole, Da:	1.94
IP(EA), eV:	-9.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NC(=O)CCN3C=NN=N3)NC(=N2)C(F)(F)F

DOS

IR

Vibrations